Glycoside
...
GD146271

Name:
1-acetyl-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-2-[(3-methylbutanoyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

Formula:
C54H82O17

Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)C(OC(=O)CC(C)C)C(OC(=O)c5ccccc5)C43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(=O)C1C(OC(=O)CC(C)C)C(OC(=O)c2ccccc2)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 3 FractionCSP3: 0.83
AlogP: 5.69 Num_rotatable_bonds: 15
MolWt: 1003.23 Num_heavy_atoms: 71
TPSA: 213.43 NumAromaticRings: 1

Unique Aglycone
AD58666
Formula: C33H46O7

Smiles:
CC(=O)C1C(OC(=O)CC(C)C)C(OC(=O)c2ccccc2)C2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.73
AlogP: 5.11 Num_rotatable_bonds: 6
MolWt: 554.72 Num_heavy_atoms: 40
TPSA: 110.13 NumAromaticRings: 1

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1