Glycoside
...
GD138094

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1-(1-{5-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}ethyl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one

Formula:
C45H72O17

Smiles:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC1OC1OC(C)C(O)C(O)C1O

Aglycone:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC1O

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.93
AlogP: 0.4 Num_rotatable_bonds: 9
MolWt: 885.05 Num_heavy_atoms: 62
TPSA: 263.75 NumAromaticRings: 0

Unique Aglycone
AD48356
Formula: C27H42O4

Smiles:
CC1CCC(C(C)C2CCC3C4=CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC1O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.89
AlogP: 4.87 Num_rotatable_bonds: 2
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00414

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O