Glycoside
...
GD149593

Name:
2-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-6-{[3-hydroxy-1-(1-hydroxy-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C50H82O22

Smiles:
CC(C)CC=CC(CO)C1CC(O)C2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(C)CC=CC(CO)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.92
AlogP: -2.96 Num_rotatable_bonds: 16
MolWt: 1035.18 Num_heavy_atoms: 72
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD59643
Formula: C27H44O3

Smiles:
CC(C)CC=CC(CO)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.85
AlogP: 5.11 Num_rotatable_bonds: 5
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD01280

OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O