Glycoside
...
GD146848

Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-ethyl-5,5a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl 4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoate

Formula:
C45H76O20

Smiles:
CCC1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CC(O)C4(O)CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CCC1C(OC(=O)CCC(C)CO)CC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 12 FractionCSP3: 0.98
AlogP: -2.07 Num_rotatable_bonds: 14
MolWt: 937.08 Num_heavy_atoms: 65
TPSA: 324.44 NumAromaticRings: 0

Unique Aglycone
AD58850
Formula: C27H46O6

Smiles:
CCC1C(OC(=O)CCC(C)CO)CC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.96
AlogP: 3.43 Num_rotatable_bonds: 6
MolWt: 466.66 Num_heavy_atoms: 33
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00065

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