Glycoside
...
GD136927

Name:
4-[(3,5-dihydroxy-2-{[2-hydroxy-4-(hydroxymethyl)-11-(methoxycarbonyl)-4,6a,6b,11,14b-pentamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxan-4-yl)oxy]-3,5,6-trihydroxyoxane-2-carboxylic acid

Formula:
C48H74O22

Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(OC7C(O)C(O)OC(C(=O)O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2C(O)COC(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 12 FractionCSP3: 0.9
AlogP: -2.03 Num_rotatable_bonds: 10
MolWt: 1003.1 Num_heavy_atoms: 70
TPSA: 358.58 NumAromaticRings: 0

Unique Aglycone
AD03249
Formula: C31H48O7

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 4.33 Num_rotatable_bonds: 3
MolWt: 532.72 Num_heavy_atoms: 38
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD06101

O=C(O)C1OC(O)C(O)C(OC2C(O)COC(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O