Glycoside
...
GD145551

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

Formula:
C44H70O21

Smiles:
CC(=O)C1=CCC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.93
AlogP: -3.55 Num_rotatable_bonds: 12
MolWt: 935.02 Num_heavy_atoms: 65
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD46473
Formula: C21H32O2

Smiles:
CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.86
AlogP: 4.52 Num_rotatable_bonds: 1
MolWt: 316.49 Num_heavy_atoms: 23
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00184

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O