Glycoside
...
GD122310

Name:
6-[(6-{[6-carboxy-1-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-6,9a,11a-trimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-5-acetamido-3,4-dihydroxyoxan-2-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C44H71O16N

Smiles:
CC(O)=NC1C(OC2CCC3(C)C4=C(CCC3C2(C)C(=O)O)C2CCC(C(C)C(O)C(O)C(C)C(C)C)C2(C)CC4)OC(COC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O

Aglycone:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C(=O)O)C1CC3

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 10 FractionCSP3: 0.89
AlogP: 2.15 Num_rotatable_bonds: 13
MolWt: 870.04 Num_heavy_atoms: 61
TPSA: 285.72 NumAromaticRings: 0

Unique Aglycone
AD46791
Formula: C30H50O5

Smiles:
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C(=O)O)C1CC3
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.9
AlogP: 5.42 Num_rotatable_bonds: 6
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD05964

CC(O)=NC1C(O)OC(COC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O