Glycoside
...
GD147877

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

Formula:
C45H74O17

Smiles:
CC(C)CCC(=O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21C

Aglycone:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.93
AlogP: 0.04 Num_rotatable_bonds: 12
MolWt: 887.07 Num_heavy_atoms: 62
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD59201
Formula: C27H44O4

Smiles:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.51 Num_rotatable_bonds: 5
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD02598

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