Glycoside
...
GD146623

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

Formula:
C45H70O19

Smiles:
CC(=O)C1=CCC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.89
AlogP: -1.18 Num_rotatable_bonds: 10
MolWt: 915.04 Num_heavy_atoms: 64
TPSA: 293.21 NumAromaticRings: 0

Unique Aglycone
AD06271
Formula: C21H30O2

Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.76
AlogP: 4.44 Num_rotatable_bonds: 1
MolWt: 314.47 Num_heavy_atoms: 23
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD09353

CC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O