Glycoside
...
GD141731

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

Formula:
C48H78O19

Smiles:
CC(CCC(=O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C

Aglycone:
CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.92
AlogP: -0.64 Num_rotatable_bonds: 14
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD13638
Formula: C30H48O4

Smiles:
CC(CCC(=O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.87
AlogP: 5.89 Num_rotatable_bonds: 5
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00518

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O