Glycoside
...
GD118164

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

Formula:
C41H62O16

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC(OCC(=O)O)C(O)C(=O)O)C6O)C(C)(CO)C5CCC43C)C2C1

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

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.85
AlogP: 3.02 Num_rotatable_bonds: 12
MolWt: 810.93 Num_heavy_atoms: 57
TPSA: 267.04 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0
AD47215
Formula: C5H8O7

Smiles:
O=C(O)COC(O)C(O)C(=O)O
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.6
AlogP: -2.15 Num_rotatable_bonds: 5
MolWt: 180.11 Num_heavy_atoms: 12
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O