Glycoside
...
GD149639

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

Formula:
C48H76O20

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(CO)CCC6(C(=O)O)CCC45C)C3(C)CO)OC(CO)C(O)C2O)C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O

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

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: -0.23 Num_rotatable_bonds: 11
MolWt: 973.12 Num_heavy_atoms: 68
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD45742
Formula: C30H48O5

Smiles:
CC1(CO)CCC2(C(=O)O)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: 3
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD09697

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O