Glycoside
...
GD121060

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

Formula:
C48H74O20

Smiles:
CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC=O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O

Sugarmoiety:
CC1OC(O)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 8 FractionCSP3: 0.92
AlogP: 0.22 Num_rotatable_bonds: 12
MolWt: 971.1 Num_heavy_atoms: 68
TPSA: 288.28 NumAromaticRings: 0

Unique Aglycone
AD04703
Formula: C24H34O6

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 2.76 Num_rotatable_bonds: 3
MolWt: 418.53 Num_heavy_atoms: 30
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00682

CC1OC(O)CC(O)C1OC1CC(O)C(OC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1