Glycoside
...
GD126226

Name:
6-{[4-formyl-11-(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12b,13,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid

Formula:
C47H72O20

Smiles:
CC1(CO)CCC2=C(C1)C1CCC3C4(C)CCC(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2=O

Aglycone:
CC1(CO)CCC2=C(C1)C1CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2=O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.89
AlogP: -1.18 Num_rotatable_bonds: 11
MolWt: 957.07 Num_heavy_atoms: 67
TPSA: 329.12 NumAromaticRings: 0

Unique Aglycone
AD51060
Formula: C29H44O4

Smiles:
CC1(CO)CCC2=C(C1)C1CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2=O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 5.25 Num_rotatable_bonds: 2
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00892

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O