Glycoside
...
GD141276

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

Formula:
C46H76O18

Smiles:
CC(C)C(O)CCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OOC5C(OC6C(CO)OC(C)C(O)C6O)OC(C)C(O)C5O)CCC4(C)C3CC(=O)C21C

Aglycone:
CC(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(OO)CCC4(C)C3CC(=O)C21C

Sugarmoiety:
CC1OC(OC2C(CO)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.93
AlogP: 0.01 Num_rotatable_bonds: 14
MolWt: 917.1 Num_heavy_atoms: 64
TPSA: 283.98 NumAromaticRings: 0

Unique Aglycone
AD56929
Formula: C27H44O5

Smiles:
CC(C)C(O)CCC(C)C1C(O)CC2C3CC=C4CC(OO)CCC4(C)C3CC(=O)C21C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 5.01 Num_rotatable_bonds: 6
MolWt: 448.64 Num_heavy_atoms: 32
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD08690

CC1OC(OC2C(CO)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O