Glycoside
...
GD145817

Name:
6-{[11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,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}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxan-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C48H76O20

Smiles:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C(=O)O)CC(O)C6(C)CCC45C)C3(C)CO)OC(C(=O)O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C(=O)O)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -0.23 Num_rotatable_bonds: 10
MolWt: 973.12 Num_heavy_atoms: 68
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD49296
Formula: C30H48O5

Smiles:
CC1(C(=O)O)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD09265

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C1O