Glycoside
...
GD133021

Name:
2-{[6-({6-[(6-{[3a-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4-hydroxy-2-methyloxan-3-yl]oxy}oxane-3,4,5-triol

Formula:
C43H70O17

Smiles:
CC(O)C1CCC2(O)C3CCC4=CC(OC5CC(O)C(OC6OCC(OC7CC(O)C(OC8OCC(O)C(O)C8O)C(C)O7)C(O)C6O)C(C)O5)CCC4(C)C3CCC12C

Aglycone:
CC(O)C1CCC2(O)C3CCC4=CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)CC(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.95
AlogP: 0.11 Num_rotatable_bonds: 9
MolWt: 859.02 Num_heavy_atoms: 60
TPSA: 255.91 NumAromaticRings: 0

Unique Aglycone
AD53850
Formula: C21H34O3

Smiles:
CC(O)C1CCC2(O)C3CCC4=CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.42 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD07598

CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)CC(O)C1OC1OCC(O)C(O)C1O