Glycoside
...
GD154340

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

Formula:
C39H62O17

Smiles:
CC(=O)C1CCC2C3CC=C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.92
AlogP: -2.01 Num_rotatable_bonds: 10
MolWt: 802.91 Num_heavy_atoms: 56
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD48475
Formula: C21H32O2

Smiles:
CC(=O)C1CCC2C3CC=C4CC(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
SD00602

OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O