Glycoside
...
GD123010

Name:
7-{[2-({6-[(4,6-dihydroxy-2-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-1-{1-[(3-methylbutanoyl)oxy]ethyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

Formula:
C51H78O21

Smiles:
CC(C)CC(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(OC4(OCC5OC(OC6C(O)CC(O)OC6C)C(O)C(O)C5O)OC(CO)C(O)C(O)C4O)CC3CCC12O

Aglycone:
CC(C)CC(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O

Sugarmoiety:
CC1OC(O)CC(O)C1OC1OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.84
AlogP: -0.1 Num_rotatable_bonds: 14
MolWt: 1027.16 Num_heavy_atoms: 72
TPSA: 330.51 NumAromaticRings: 1

Unique Aglycone
AD46553
Formula: C33H48O7

Smiles:
CC(C)CC(=O)OC(C)C1CC(OC(=O)c2ccccc2)C2(O)C1(C)CCC1C3(C)CCC(O)CC3CCC12O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.76
AlogP: 5.05 Num_rotatable_bonds: 6
MolWt: 556.74 Num_heavy_atoms: 40
TPSA: 113.29 NumAromaticRings: 1

Sugarmoiety
SD06076

CC1OC(O)CC(O)C1OC1OC(COC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O