Glycoside
...
GD145699

Name:
6-{[4-formyl-8a-(methoxycarbonyl)-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}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C48H74O19

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 9 FractionCSP3: 0.9
AlogP: 0.71 Num_rotatable_bonds: 10
MolWt: 955.1 Num_heavy_atoms: 67
TPSA: 297.89 NumAromaticRings: 0

Unique Aglycone
AD58463
Formula: C31H48O4

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)CC2
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.87
AlogP: 6.5 Num_rotatable_bonds: 2
MolWt: 484.72 Num_heavy_atoms: 35
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00702

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O