Glycoside
...
GD123797

Name:
6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-5-({5-[2-({[6-({2-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}carbonyl)benzoyloxy]-3,4-dihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C90H130O28

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(OC(=O)c7ccccc7C(=O)OC7COC(OC8C(OC9CCC%10(C)C(CCC%11(C)C%10CC=C%10C%12CC(C)(C)CCC%12(C(=O)O)CCC%10%11C)C9(C)C)OC(C(=O)O)C(O)C8O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=C(O)c1ccccc1C(=O)O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 15
HBD: 12 FractionCSP3: 0.82
AlogP: 9.27 Num_rotatable_bonds: 16
MolWt: 1660.0 Num_heavy_atoms: 118
TPSA: 437.48 NumAromaticRings: 1

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD19612
Formula: C8H6O4

Smiles:
O=C(O)c1ccccc1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.08 Num_rotatable_bonds: 2
MolWt: 166.13 Num_heavy_atoms: 12
TPSA: 74.6 NumAromaticRings: 1

Sugarmoiety
SD06206

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O