Glycoside
...
GD125539

Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-{[3-({4-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,5,6-trihydroxyoxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-carboxylate

Formula:
C63H102O31

Smiles:
CC1(C)CC(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(O)C(O)C(OC7OCC(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OC2COC(OC3C(O)C(O)OC(OC4C(O)OCC(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 18 FractionCSP3: 0.95
AlogP: -5.3 Num_rotatable_bonds: 15
MolWt: 1355.48 Num_heavy_atoms: 94
TPSA: 491.97 NumAromaticRings: 0

Unique Aglycone
AD44800
Formula: C30H48O3

Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.09 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD06488

OCC1OC(OC2COC(OC3C(O)C(O)OC(OC4C(O)OCC(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O